1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol

C32H61N5O6 — CID 159528790

IUPAC1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol
SMILESCCCC(=O)N1CCC(=O)CC1.CCCC(=O)N1CCC(N)CC1.CCCC(=O)N1CCC(O)CC1.OC1CCNCC1
InChIInChI=1S/C9H18N2O.C9H17NO2.C9H15NO2.C5H11NO/c1-2-3-9(12)11-6-4-8(10)5-7-11;2*1-2-3-9(12)10-6-4-8(11)5-7-10;7-5-1-3-6-4-2-5/h8H,2-7,10H2,1H3;8,11H,2-7H2,1H3;2-7H2,1H3;5-7H,1-4H2
InChIKeyMCSMZZXVOQWMFX-UHFFFAOYSA-N
MW611.87 g/mol
LogP2.21
Rot. Bonds6

About 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol

1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol (PubChem CID 159528790) has the molecular formula C32H61N5O6 and a molecular weight of 611.87 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol
PubChem CID159528790
Molecular FormulaC32H61N5O6
Molecular Weight611.87 g/mol
Exact Mass611.46
IUPAC Name1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol
SMILESCCCC(=O)N1CCC(=O)CC1.CCCC(=O)N1CCC(N)CC1.CCCC(=O)N1CCC(O)CC1.OC1CCNCC1
InChIInChI=1S/C9H18N2O.C9H17NO2.C9H15NO2.C5H11NO/c1-2-3-9(12)11-6-4-8(10)5-7-11;2*1-2-3-9(12)10-6-4-8(11)5-7-10;7-5-1-3-6-4-2-5/h8H,2-7,10H2,1H3;8,11H,2-7H2,1H3;2-7H2,1H3;5-7H,1-4H2
InChIKeyMCSMZZXVOQWMFX-UHFFFAOYSA-N
XLogP2.21
TPSA156.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.87
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-Amino-3-(4-hydroxypiperidin-1-yl)-1-(1-piperidin-4-ylpiperidin-1-ium-1-yl)propan-1-one
CID 69104699
1-Acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;1-methylpiperidin-4-one;piperidin-4-one
CID 157331389
1-(4-Aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;methane;piperidin-4-ol
CID 157744617
Tert-butyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;piperidin-4-ol;1-piperidin-4-ylpiperidin-4-ol
CID 158247662
1-Acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one
CID 158430023
N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methylpropanamide;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
CID 159597243
4-Methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
CID 159782085
Methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
CID 161387672
N,N-diethyl-1-methylpiperidin-4-amine;1,4-dimethylpiperazine;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methylpiperidin-4-ol;2-methylpropanamide;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;N,N,1-trimethylpiperidin-4-amine
CID 161941482

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol?
The IUPAC name of 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol (CID 159528790) is 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol is CCCC(=O)N1CCC(=O)CC1.CCCC(=O)N1CCC(N)CC1.CCCC(=O)N1CCC(O)CC1.OC1CCNCC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol?
The InChIKey is MCSMZZXVOQWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H17NO2.C9H15NO2.C5H11NO/c1-2-3-9(12)11-6-4-8(10)5-7-11;2*1-2-3-9(12)10-6-4-8(11)5-7-10;7-5-1-3-6-4-2-5/h8H,2-7,10H2,1H3;8,11H,2-7H2,1H3;2-7H2,1H3;5-7H,1-4H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol?
1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol has a molecular weight of 611.87 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol is sourced from PubChem (CID 159528790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).